(phenylmethyl) N-ethyl-N'-propyl-carbamimidothioate hydrobromide

Systemtic Name: (phenylmethyl) N-ethyl-N'-propyl-carbamimidothioate hydrobromide Openeye Name: 2-benzyl-1-ethyl-3-propyl-isothiourea hydrobromide CAS Name: N-ethyl-N'-propylcarbamimidothioic acid (phenylmethyl) ester hydrobromide IUPAC Name: benzyl N-ethyl-N'-propylcarbamimidothioate hydrobromide Traditional Name: 2-benzyl-1-ethyl-3-propyl-isothiourea hydrobromide Formula: C13H21BrN2S MolecularWeight: 317.28824

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(NCC)SCC1=CC=CC=C1.Br

Isomeric SMILES

CCCN=C(NCC)SCC1=CC=CC=C1.Br

InChI

InChI=1S/C13H20N2S.BrH/c1-3-10-15-13(14-4-2)16-11-12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3,(H,14,15);1H